4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide

C11H25N3O3S — CID 113356656

IUPAC4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C11H25N3O3S/c1-10(2)12-18(16,17)14-7-5-13(6-8-14)9-11(3,4)15/h10,12,15H,5-9H2,1-4H3
InChIKeyXHAWCPLTDINOJU-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.38
Rot. Bonds5

About 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide

4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 113356656) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID113356656
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C11H25N3O3S/c1-10(2)12-18(16,17)14-7-5-13(6-8-14)9-11(3,4)15/h10,12,15H,5-9H2,1-4H3
InChIKeyXHAWCPLTDINOJU-UHFFFAOYSA-N
XLogP-0.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate
CID 114464217
4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 75483805
4-(cyanomethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 115969694
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107030633
4-(methylamino)-N-propan-2-ylpiperidine-1-sulfonamide
CID 114803086
4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 114807878
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 63237331
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999320
methyl 3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621757
2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol
CID 63631193
4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide
CID 110608436

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide (CID 113356656) is 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is XHAWCPLTDINOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-10(2)12-18(16,17)14-7-5-13(6-8-14)9-11(3,4)15/h10,12,15H,5-9H2,1-4H3.
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide?
4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 113356656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).